MolNFT v1 · #186619 · protein
Bthtx-II variant a, from bothrops jararacussu venom, complexed with benzoic acid
7RJZ · Bthtx-iia: “Bthtx-II variant a, from bothrops jararacussu venom, complexed with benzoic acid”. X-ray diffraction, 1 ligand (BEZ), 1 pocket (best druggability 0.79). MolNFT v1 #186619 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7RJZ
- Type
- protein
- Length
- 242 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bthtx-iia
- EC
- 3.1.1.4
- Ligands
- BEZ
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bthtx-iia (EC 3.1.1.4) | protein | 121 | 50% helix, 5% strand | — |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 769 | 0.79 | 0.82 | 59 | BEZ |
Interfaces
1 interface between chains.
- A–B · 613 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 7RJZ · BthTX-II variant a, from Bothrops jararacussu venom, complexed with benzoic acid · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7RJZ · PDBe 7RJZ
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